Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Metallo-beta-lactamase type 2' and Ligand = 'BDBM360961'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM360961 (2-(4-(2- aminobenzo[d] thiazol-4-yl)-2- sulfamoyl-...) Show SMILES CC(C)(CN)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O Show InChI InChI=1S/C18H21N9O4S3/c1-18(2,8-19)25-34(30,31)12-7-6-9(10-4-3-5-11-14(10)22-17(20)32-11)13(15(12)33(21,28)29)16-23-26-27-24-16/h3-7,25H,8,19H2,1-2H3,(H2,20,22)(H2,21,28,29)(H,23,24,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...				US Patent US10221163 (2019) BindingDB Entry DOI: 10.7270/Q2RX9FB1
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM360961 (2-(4-(2- aminobenzo[d] thiazol-4-yl)-2- sulfamoyl-...) Show SMILES CC(C)(CN)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O Show InChI InChI=1S/C18H21N9O4S3/c1-18(2,8-19)25-34(30,31)12-7-6-9(10-4-3-5-11-14(10)22-17(20)32-11)13(15(12)33(21,28)29)16-23-26-27-24-16/h3-7,25H,8,19H2,1-2H3,(H2,20,22)(H2,21,28,29)(H,23,24,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10544130 (2020) BindingDB Entry DOI: 10.7270/Q2C82CQH
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM360961 (2-(4-(2- aminobenzo[d] thiazol-4-yl)-2- sulfamoyl-...) Show SMILES CC(C)(CN)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O Show InChI InChI=1S/C18H21N9O4S3/c1-18(2,8-19)25-34(30,31)12-7-6-9(10-4-3-5-11-14(10)22-17(20)32-11)13(15(12)33(21,28)29)16-23-26-27-24-16/h3-7,25H,8,19H2,1-2H3,(H2,20,22)(H2,21,28,29)(H,23,24,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.243	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...				US Patent US10544130 (2020) BindingDB Entry DOI: 10.7270/Q2C82CQH
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM360961 (2-(4-(2- aminobenzo[d] thiazol-4-yl)-2- sulfamoyl-...) Show SMILES CC(C)(CN)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O Show InChI InChI=1S/C18H21N9O4S3/c1-18(2,8-19)25-34(30,31)12-7-6-9(10-4-3-5-11-14(10)22-17(20)32-11)13(15(12)33(21,28)29)16-23-26-27-24-16/h3-7,25H,8,19H2,1-2H3,(H2,20,22)(H2,21,28,29)(H,23,24,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.243	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...				US Patent US10221163 (2019) BindingDB Entry DOI: 10.7270/Q2RX9FB1
					More data for this Ligand-Target Pair